(R,S)-2-hydroxy-2-methyl-3-phenylpropanoic acid | 56269-86-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: (R,S)-2-hydroxy-2-methyl-3-phenylpropanoic acid
• 英文别名: 2-Hydroxy-2-(phenylmethyl)propionsaeure；(+/-)-2-hydroxy-2-methyl-3-phenyl-propionic acid；2-hydroxy-2-methyl-3-phenyl-propionic acid；(+/-)-2-Hydroxy-2-methyl-3-phenyl-propionsaeure；β-Oxy-α-phenyl-propan-β-carbonsaeure；α-Oxy-β-phenyl-isobuttersaeure；2-Hydroxy-2-methyl-3-phenylpropanoic acid
• CAS: 56269-86-4
• 化学式: C₁₀H₁₂O₃
• mdl: MFCD11052529
• 分子量: 180.203
• InChiKey: IBIBMVNOBCIJNU-UHFFFAOYSA-N

物化性质

• 熔点：
  97-99 °C(Solv: benzene (71-43-2))
• 沸点：
  333.5±22.0 °C(Predicted)
• 密度：
  1.222±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (R,S)-2-hydroxy-2-methyl-3-phenylpropanoic acid 在 lithium aluminium tetrahydride 、 乙醚 、 番木鳖碱 作用下， 生成 3-nitro-phthalic acid-2-((R)-2-hydroxy-2-methyl-3-phenyl-propyl ester)
  参考文献：
  名称：

  Davies et al., Journal of the Chemical Society, 1957, p. 3154,3156

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 硫酸 、 sodium bromide 、 sodium nitrite 作用下， 生成 (R,S)-2-hydroxy-2-methyl-3-phenylpropanoic acid
  参考文献：
  名称：

  Testa et al., Justus Liebigs Annalen der Chemie, 1958, vol. 619, p. 47,52

  摘要：

  DOI：

文献信息

• Method and compositions for identifying anti-HIV therapeutic compounds
  申请人：GILEAD SCIENCES, INC.

  公开号：US20040121316A1

  公开（公告）日：2004-06-24

  Methods are provided for identifying anti-HIV therapeutic compounds substituted with carboxyl ester or phosphonate ester groups. Libraries of such compounds are screened optionally using the novel enzyme GS-7340 Ester Hydrolase. Compositions and methods relating to GS-7340 Ester Hydrolase also are provided.

  提供了一种鉴定含有羧酸酯或磷酸酯基团抗HIV治疗化合物的方法。可以选择使用新型酶GS-7340酯水解酶筛选这类化合物的文库。还提供了与GS-7340酯水解酶相关的组合物和方法。
• [EN] 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE<br/>[FR] DERIVES DE PHENYLE 1,3,5-SUBSTITUES UTILES COMME INHIBITEURS DE LA BETA-SECRETASE POUR LE TRAITEMENT DE LA MALADIE D'ALZHEIMER
  申请人：MERCK & CO INC

  公开号：WO2005103020A1

  公开（公告）日：2005-11-03

  The present invention is directed to 1,3,5-phenyl substituted derivative compounds which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.

  本发明涉及1,3,5-苯基取代衍生物化合物，这些化合物是β-分泌酶的抑制剂，可用于治疗β-分泌酶参与的疾病，例如阿尔茨海默病。该发明还涉及包含这些化合物的药物组合物，以及这些化合物和组合物在治疗β-分泌酶参与疾病中的用途。
• PRODRUGS OF A PIPERIDINYL DERIVATIVE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY
  申请人：Hynes John

  公开号：US20110082113A1

  公开（公告）日：2011-04-07

  The present application describes prodrugs of the compound of formula (I): or stereoisomers or pharmaceutically acceptable salts thereof. In addition, methods of treating and preventing inflammatory diseases such as asthma and allergic diseases, as well as autoimmune pathologies such as rheumatoid arthritis using the prodrug compounds of the invention are disclosed.

  本申请描述了化合物的前药，其化学式为（I）： 或其立体异构体或药用可接受的盐。此外，还公开了利用本发明的前药化合物治疗和预防炎症性疾病，如哮喘和过敏疾病，以及自身免疫病理，如类风湿关节炎的方法。
• Renin-inhibiting functionalized peptidyl aminodiols and - triols
  申请人：ABBOTT LABORATORIES

  公开号：EP0341602A2

  公开（公告）日：1989-11-15

  A renin inhibiting compound of the formula: or a pharmaceutically acceptable salt, ester or prodrug thereof.

  一个公式为的抑制肾素的化合物： 或其药用可接受的盐、酯或前药。
• [EN] SPIRO-OXAZOLONES<br/>[FR] SPIRO-OXAZOLONES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2015124541A1

  公开（公告）日：2015-08-27

  The present invention provides spiro-oxazolones, which act as V1a receptor modulators, and in particular as V1a receptor antagonists, their manufacture, pharmaceutical compositions containing them and their use as medicaments. The present compounds are useful as therapeutics acting peripherally and centrally in the conditions of inappropriate secretion of vasopressin, anxiety, depressive disorders, obsessive compulsive disorder, autistic spectrum disorders, schizophrenia, aggressive behavior and phase shift sleep disorders, in particular jetlag.

  本发明提供了螺环噁唑酮，其作为V1a受体调节剂，特别是作为V1a受体拮抗剂，其制备方法，含有它们的药物组合物以及它们作为药物的用途。本化合物在周围和中枢作用下，对于不当分泌加压素、焦虑、抑郁症、强迫症、自闭症谱系障碍、精神分裂症、攻击性行为和相位错位性睡眠障碍，特别是时差反应等症状的治疗具有用处。

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